Selected publications
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Aggregation Patterns in Low- and High-Charge Anions Define Opposite Solubility Trends
J. Phys. Chem. B 2019, 123 (49), 10505-10513, DOI: 10.1021/acs.jpcb.9b08571. -
Performance of group additivity methods for predicting the stability of uranyl complexes
J. Comput. Chem. 2020, 41 (11), 1124-1129, DOI: 10.1002/jcc.26157. -
Tuning and mechanistic insights of metal chalcogenide molecular catalysts for the hydrogen-evolution reaction
GO TO OPEN ACCESS Nat Comms 2019, 10, 370, DOI: 10.1038/s41467-018-08208-4. -
Deciphering key intermediates in the transformation of carbon dioxide into heterocyclic products
Nat. Catal. 2019, 2, 62-70, DOI: 10.1038/s41929-018-0189-z. -
The role of computational results databases in accelerating the discovery of catalysts
Nat. Catal. 2018, 809–810, DOI: 10.1038/s41929-018-0176-4.